IBS-ZINC04438112 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 47 0 0 0 0 0 0 0 0999 V2000 0.0900 1.2080 0.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -0.0740 0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 -0.6650 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3850 0.0240 -0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4320 1.3290 0.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 1.9130 0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7220 2.0340 0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8240 3.1580 0.9280 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7920 1.3860 -0.0430 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6560 0.1180 -0.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5130 -0.5260 -0.5670 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8400 -0.5460 -1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7220 -1.7470 -1.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9120 -2.4140 -2.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7940 -3.6600 -2.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9130 -4.2790 -3.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1520 -3.6700 -3.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2780 -2.4370 -2.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1670 -1.8030 -2.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3490 -4.3420 -3.8460 N 0 3 0 0 0 0 0 0 0 0 0 0 10.2420 -5.4280 -4.3890 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4410 -3.8090 -3.7600 O 0 5 0 0 0 0 0 0 0 0 0 0 6.0440 2.0120 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4240 2.7800 -1.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6590 3.3980 -1.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5200 3.2540 -0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1460 2.4880 0.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9050 1.8720 1.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9940 2.3470 2.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8120 1.6570 1.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 -0.6110 0.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1170 -1.6630 -0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3020 2.9090 1.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8090 -0.0740 -1.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7540 -2.2200 -1.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8280 -4.1370 -2.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8230 -5.2420 -3.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2480 -1.9690 -2.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2660 -0.8390 -1.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7530 2.8940 -1.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9530 3.9940 -2.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4860 3.7380 -0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6100 1.2800 1.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8870 3.0220 2.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 27 2 0 0 0 0 26 42 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 43 1 0 0 0 0 29 44 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END